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N-{4-[(1-adamantylamino)sulfonyl]phenyl}-4-bromo-1-methyl-1H-pyrazole-3-carboxamide
SpectraBase Compound ID 2334HFnO8m0
InChI InChI=1S/C21H25BrN4O3S/c1-26-12-18(22)19(24-26)20(27)23-16-2-4-17(5-3-16)30(28,29)25-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,12-15,25H,6-11H2,1H3,(H,23,27)/t13-,14+,15-,21-
InChIKey ZEDDYNSGMOKNOV-FZUGUKJMSA-N
Mol Weight 493.42 g/mol
Molecular Formula C21H25BrN4O3S
Exact Mass 492.083075 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8lyUzvSKAPz
Name N-{4-[(1-adamantylamino)sulfonyl]phenyl}-4-bromo-1-methyl-1H-pyrazole-3-carboxamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H25BrN4O3S/c1-26-12-18(22)19(24-26)20(27)23-16-2-4-17(5-3-16)30(28,29)25-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,12-15,25H,6-11H2,1H3,(H,23,27)/t13-,14+,15-,21-
InChIKey ZEDDYNSGMOKNOV-FZUGUKJMSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11337
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9088202; UBI_ID: UBI-011340
Temperature 308 °C